Density-functional methods for excited states:
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Cham [u.a.]
Springer
2016
|
| Schriftenreihe: | Topics in current chemistry
368 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XII, 481 S. Ill., graph. Darst. |
| ISBN: | 9783319220802 9783319220819 |
Internformat
MARC
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| 245 | 1 | 0 | |a Density-functional methods for excited states |c Nicolas Ferré ..., eds. With contributions by C. Adamo ... |
| 246 | 1 | 3 | |a Density functional methods for excited states |
| 264 | 1 | |a Cham [u.a.] |b Springer |c 2016 | |
| 300 | |a XII, 481 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
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| 999 | |a oai:aleph.bib-bvb.de:BVB01-028310617 | ||
Datensatz im Suchindex
| _version_ | 1804175168046628864 |
|---|---|
| adam_text | Contents
Many-Body Perturbation Theory (MBPT) and Time-Dependent
Density-Functional Theory (TD-DFT): MBPT Insights About What
Is Missing In, and Corrections To, the TD-DFT Adiabatic
Approximation.......................................................... 1
Mark E. Casida and Miquel Huix-Rotliant
Constricted Variational Density Functional Theory Approach to the
Description of Excited States...................................... 61
Tom Ziegler, Mykhaylo Krykunov, Issaka Seidu, and Young Choon Park
Ensemble DFT Approach to Excited States of Strongly Correlated
Molecular Systems.................................................. 97
Michael Filatov
Reduced Density Matrix Functional Theory (RDMFT) and Linear
Response Time-Dependent RDMFT (TD-RDMFT).......................... 125
Katarzyna Pemal and Klaas J.H. Giesbertz
Excitons in Time-Dependent Density-Functional Theory................. 185
Carsten A. Ullrich and Zeng-hui Yang
Dynamical Processes in Open Quantum Systems from a TDDFT
Perspective; Resonances and Electron Photoemission . ............. 219
Ask Hjorth Larsen, Umberto De Giovannini, and Angel Rubio
Nonlinear Spectroscopy of Core and Valence Excitations Using Short
X-Ray Pulses: Simulation Challenges............................... 273
Yu Zhang, Weijie Hua, Kochise Bennett, and Shaul Mukamel
Computational Molecular Electronic Spectroscopy with TD-DFT .... 347
Denis Jacquemin and Carlo Adamo
xi
Contents
XXI
Absorption Spectroscopy, Emissive Properties, and Ultrafast
Intersystem Crossing Processes in Transition Metal Complexes:
TD-DFT and Spin-Orbit Coupling.................................... 377
Chantal Daniel
Surface Hopping Dynamics with DFT Excited States...................... 415
Mario Baxbatti and Rachel Crespo-Otero
Description of Conical Intersections with Density Functional
Methods............................................................... 445
Miquel Huix-Rotllant, Alexander Nikiforov, Walter Thiel,
and Michael Filatov
Index................................................................. 477
|
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| dewey-full | 540 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 540 - Chemistry and allied sciences |
| dewey-raw | 540 |
| dewey-search | 540 |
| dewey-sort | 3540 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik |
| format | Book |
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| genre_facet | Aufsatzsammlung |
| id | DE-604.BV042881777 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T07:12:00Z |
| institution | BVB |
| isbn | 9783319220802 9783319220819 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028310617 |
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| physical | XII, 481 S. Ill., graph. Darst. |
| publishDate | 2016 |
| publishDateSearch | 2016 |
| publishDateSort | 2016 |
| publisher | Springer |
| record_format | marc |
| series | Topics in current chemistry |
| series2 | Topics in current chemistry |
| spelling | Density-functional methods for excited states Nicolas Ferré ..., eds. With contributions by C. Adamo ... Density functional methods for excited states Cham [u.a.] Springer 2016 XII, 481 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Topics in current chemistry 368 Angeregter Zustand (DE-588)4142423-2 gnd rswk-swf Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Dichtefunktionalformalismus (DE-588)4258514-4 s Angeregter Zustand (DE-588)4142423-2 s DE-604 Ferré, Nicolas Sonstige (DE-588)1076830234 oth Adamo, Carlo Sonstige oth Erscheint auch als Online-Ausgabe 10.1007/978-3-319-22081-9 Topics in current chemistry 368 (DE-604)BV002530870 368 Digitalisierung UB Regensburg - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028310617&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Density-functional methods for excited states Topics in current chemistry Angeregter Zustand (DE-588)4142423-2 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| subject_GND | (DE-588)4142423-2 (DE-588)4258514-4 (DE-588)4143413-4 |
| title | Density-functional methods for excited states |
| title_alt | Density functional methods for excited states |
| title_auth | Density-functional methods for excited states |
| title_exact_search | Density-functional methods for excited states |
| title_full | Density-functional methods for excited states Nicolas Ferré ..., eds. With contributions by C. Adamo ... |
| title_fullStr | Density-functional methods for excited states Nicolas Ferré ..., eds. With contributions by C. Adamo ... |
| title_full_unstemmed | Density-functional methods for excited states Nicolas Ferré ..., eds. With contributions by C. Adamo ... |
| title_short | Density-functional methods for excited states |
| title_sort | density functional methods for excited states |
| topic | Angeregter Zustand (DE-588)4142423-2 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| topic_facet | Angeregter Zustand Dichtefunktionalformalismus Aufsatzsammlung |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028310617&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV002530870 |
| work_keys_str_mv | AT ferrenicolas densityfunctionalmethodsforexcitedstates AT adamocarlo densityfunctionalmethodsforexcitedstates |